N'-penta-1,3-dienylmethanimidamide

C6H10N2 — CID 123153342

IUPACN'-penta-1,3-dienylmethanimidamide
SMILESCC=CC=C/N=C/N
InChIInChI=1S/C6H10N2/c1-2-3-4-5-8-6-7/h2-6H,1H3,(H2,7,8)
InChIKeyHMEVBUMIJRXWCM-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About N'-penta-1,3-dienylmethanimidamide

N'-penta-1,3-dienylmethanimidamide (PubChem CID 123153342) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-penta-1,3-dienylmethanimidamide.

Molecular Properties

Compound NameN'-penta-1,3-dienylmethanimidamide
PubChem CID123153342
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-penta-1,3-dienylmethanimidamide
SMILESCC=CC=C/N=C/N
InChIInChI=1S/C6H10N2/c1-2-3-4-5-8-6-7/h2-6H,1H3,(H2,7,8)
InChIKeyHMEVBUMIJRXWCM-UHFFFAOYSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-penta-1,3-dienylmethanimidamide?
The IUPAC name of N'-penta-1,3-dienylmethanimidamide (CID 123153342) is N'-penta-1,3-dienylmethanimidamide.
What is the SMILES notation for N'-penta-1,3-dienylmethanimidamide?
The canonical SMILES for N'-penta-1,3-dienylmethanimidamide is CC=CC=C/N=C/N.
What is the InChIKey of N'-penta-1,3-dienylmethanimidamide?
The InChIKey is HMEVBUMIJRXWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-4-5-8-6-7/h2-6H,1H3,(H2,7,8).
What are the key properties of N'-penta-1,3-dienylmethanimidamide?
N'-penta-1,3-dienylmethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-penta-1,3-dienylmethanimidamide is sourced from PubChem (CID 123153342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).